methyl 2-[[(E)-3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]prop-2-enyl]-(3-cyanophenyl)amino]ethanoate

Systemtic Name: methyl 2-[[(E)-3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]prop-2-enyl]-(3-cyanophenyl)amino]ethanoate Openeye Name: methyl 2-(N-[(E)-3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]allyl]-3-cyano-anilino)acetate CAS Name: 2-(N-[(E)-3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]prop-2-enyl]-3-cyanoanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[(E)-3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]prop-2-enyl]-3-cyanoanilino)acetate Traditional Name: 2-(N-[(E)-3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]allyl]-3-cyano-anilino)acetic acid methyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C=CCN(CC(=O)OC)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)/C=C/CN(CC(=O)OC)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C29H31N3O4S/c1-29(2,3)31-37(34,35)27-13-6-5-12-26(27)24-16-14-22(15-17-24)10-8-18-32(21-28(33)36-4)25-11-7-9-23(19-25)20-30/h5-17,19,31H,18,21H2,1-4H3/b10-8+